1-[4-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidino]ethanone Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H30N2O3S/c1-17(27)25-10-8-21(9-11-25)26-12-13-29-24-20(16-26)14-19(15-23(24)28-2)18-4-6-22(30-3)7-5-18/h4-7,14-15,21H,8-13,16H2,1-3H3